CID 3033878

Dimethyldicyclopentadiene

Structural Information

Molecular Formula
C12H16
SMILES
CC1C2C3CC(C2C=C1C)C=C3
InChI
InChI=1S/C12H16/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2/h3-5,8-12H,6H2,1-2H3
InChIKey
GUOAPVPPPVLIQQ-UHFFFAOYSA-N
Compound name
4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

917
Patents

160.1252 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 134.6
[M+Na]+ 183.11442 145.0
[M+NH4]+ 178.15902 146.0
[M+K]+ 199.08836 143.2
[M-H]- 159.11792 136.5
[M+Na-2H]- 181.09987 136.5
[M]+ 160.12465 136.6
[M]- 160.12575 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe